%chk=000041233.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041233

0 1
 S   -2.153800      0.2632000       1.486900    
 S   -2.143300      0.2830000      -1.517100    
 N    1.782100      -2.022600     -1.1000000E-02
 C   -1.670500     -0.6972000     -1.7000001E-02
 C  -0.1695000     -0.9654000     -1.1900000E-02
 C   0.8654000      1.1100000E-02  4.8000002E-03
 C   -3.346800       1.345000      0.6634000    
 C   -2.734700       1.765400     -0.6562000    
 C   -2.567900      -1.946200     -3.4600001E-02
 C    2.079600     -0.6786000      5.1000002E-03
 C   0.4255000      -2.206000     -2.1400001E-02
 C   0.8855000       1.419900      1.9700000E-02
 C    3.318100     -2.7300000E-02  1.9700000E-02
 C    2.116900       2.085000      3.4699999E-02
 C    3.313400       1.370500      3.4800000E-02
 H   -3.555400       2.215500       1.292600    
 H   -4.288900      0.8053000      0.5182000    
 H   -3.490600       2.253200      -1.280400    
 H   -1.929800       2.490900     -0.5246000    
 H   -3.638200      -1.703900     -4.1999999E-02
 H   -2.368900      -2.569200     -0.9161000    
 H   -2.383700      -2.582300      0.8408000    
 H   1.5000000E-02  -3.206000     -3.4200002E-02
 H    2.467000      -2.765900     -1.4600000E-02
 H  -1.5400000E-02   2.014100      4.4000000E-02
 H    4.250000     -0.5826000      2.0000000E-02
 H    2.139000       3.171500      5.2099999E-02
 H    4.258500       1.907300      4.8000000E-02


%chk=000041233-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000041233

0 1
S -2.101448 0.454131 1.515744
S -2.119652 0.433262 -1.588885
N 1.807105 -2.072910 -0.007320
C -1.634147 -0.628015 -0.010534
C -0.160382 -0.905135 0.001451
C 0.946873 0.045980 0.020210
C -3.555314 1.287884 0.654089
C -3.055798 1.814383 -0.695059
C -2.508845 -1.895323 -0.025979
C 2.165569 -0.717311 0.014998
C 0.414520 -2.181397 -0.016001
C 1.031344 1.462855 0.036897
C 3.443832 -0.117583 0.028472
C 2.301604 2.070334 0.048242
C 3.495895 1.290415 0.045078
H -3.884511 2.106663 1.317383
H -4.377259 0.563388 0.530038
H -3.896008 2.103071 -1.350775
H -2.376641 2.671568 -0.558755
H -3.577316 -1.628088 0.002933
H -2.334687 -2.475429 -0.951489
H -2.285109 -2.530371 0.850776
H -0.067760 -3.155931 -0.034498
H 2.457561 -2.855069 -0.015053
H 0.119547 2.065457 0.048016
H 4.361403 -0.716595 0.025758
H 2.379326 3.163164 0.061912
H 4.468899 1.794303 0.056051